4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline

C24H19NO3 — CID 74539628

IUPAC4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2cncc(Cc3ccc4oc5ccccc5c4c3)c2cc1OC
InChIInChI=1S/C24H19NO3/c1-26-23-11-17-14-25-13-16(19(17)12-24(23)27-2)9-15-7-8-22-20(10-15)18-5-3-4-6-21(18)28-22/h3-8,10-14H,9H2,1-2H3
InChIKeyMUAKOSKOYNOYFI-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.74
Rot. Bonds4

About 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline

4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline (PubChem CID 74539628) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline
PubChem CID74539628
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2cncc(Cc3ccc4oc5ccccc5c4c3)c2cc1OC
InChIInChI=1S/C24H19NO3/c1-26-23-11-17-14-25-13-16(19(17)12-24(23)27-2)9-15-7-8-22-20(10-15)18-5-3-4-6-21(18)28-22/h3-8,10-14H,9H2,1-2H3
InChIKeyMUAKOSKOYNOYFI-UHFFFAOYSA-N
XLogP5.74
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline?
The IUPAC name of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline (CID 74539628) is 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline?
The canonical SMILES for 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline is COc1cc2cncc(Cc3ccc4oc5ccccc5c4c3)c2cc1OC.
What is the InChIKey of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline?
The InChIKey is MUAKOSKOYNOYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-26-23-11-17-14-25-13-16(19(17)12-24(23)27-2)9-15-7-8-22-20(10-15)18-5-3-4-6-21(18)28-22/h3-8,10-14H,9H2,1-2H3.
What are the key properties of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline?
4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline has a molecular weight of 369.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 74539628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).